| ... | @@ -42,7 +42,7 @@ E_{\textrm{vel.ext}} = -\int \sum_{\sigma=\{\uparrow,\downarrow\}}\vec{v}_{\sigm |
... | @@ -42,7 +42,7 @@ E_{\textrm{vel.ext}} = -\int \sum_{\sigma=\{\uparrow,\downarrow\}}\vec{v}_{\sigm |
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The total energy `E_tot` is computed as the sum of all these contributions.
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The total energy `E_tot` is computed as the sum of all these contributions.
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# Densities
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# Densities
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Densities are computed according to formulas: (**TODO: there are missing ^2 in some formulas**)
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Densities are computed according to formulas:
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* `nu`:
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* `nu`:
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$`\nu(r) = \frac{1}{2}\sum_{|E_n|<E_c} u_{n,\uparrow}(r)v_{n,\downarrow}^{*}(r)( f_{\beta}(-E_n)-f_{\beta}(E_n) )`$
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$`\nu(r) = \frac{1}{2}\sum_{|E_n|<E_c} u_{n,\uparrow}(r)v_{n,\downarrow}^{*}(r)( f_{\beta}(-E_n)-f_{\beta}(E_n) )`$
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* `rho_a`:
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* `rho_a`:
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| ... | | ... | |
